ATOM 21
1 C1z C 24.4411 -20.4500
2 C1x C 24.4475 -21.8514
3 C1x C 25.6644 -22.5467
4 C1x C 26.8749 -21.8404
5 C8y C 25.6516 -19.7438
6 C8y C 26.8663 -20.4394
7 C8x C 26.8565 -17.6397
8 C8x C 25.6467 -18.3439
9 C8y C 28.0714 -18.3353
10 C8y C 28.0703 -19.7321
11 C5x C 29.2794 -20.4313
12 C5x C 30.4312 -19.7538
13 C2y C 30.4666 -18.2968
14 C2x C 29.2576 -17.5978
15 C1c C 31.6802 -17.5973
16 C1a C 32.8929 -18.2986
17 C1a C 31.6812 -16.1965
18 O5x O 31.6783 -20.3948
19 O5x O 29.2783 -21.8320
20 C1a C 23.2128 -19.7483
21 C1a C 23.2281 -21.1579
BOND 23
1 1 2 1
2 2 3 1
3 3 4 1
4 9 10 2
5 10 11 1
6 11 12 1
7 12 13 1
8 13 14 2
9 14 9 1
10 5 6 2
11 13 15 1
12 6 10 1
13 15 16 1
14 9 7 1
15 15 17 1
16 7 8 2
17 12 18 2
18 8 5 1
19 11 19 2
20 4 6 1
21 5 1 1
22 1 20 1
23 1 21 1
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